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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL47955
CHEMBL47955
Compound Name EPEREZOLID
ChEMBL Synonyms EPEREZOLID | U-100592 | U-100,592
Max Phase 0
Trade Names
Molecular Formula C18H23FN4O5

Additional synonyms for CHEMBL47955 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)CO)c(F)c2
Standard InChI InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2 ...
Download InChI
Standard InChI Key SIMWTRCFFSTNMG-AWEZNQCLSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL47955

Molecule Features

CHEMBL47955 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL47955. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL244 Coagulation factor X Homo sapiens 0.994
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.216

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5062 Coagulation factor X Oryctolagus cuniculus 1.000
CHEMBL244 Coagulation factor X Homo sapiens 0.999
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.369

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
394.4 394.1652 -0.25 5 102.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 1.64 -.59 -.59 1 28 0.71

Structural Alerts

There are no structural alerts for CHEMBL47955

Compound Cross References

ChemSpider ChemSpider:SIMWTRCFFSTNMG-AWEZNQCLSA-N
Wikipedia Eperezolid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL47955



ACToR 165800-04-4
BindingDB 50433368
EPA CompTox Dashboard DTXSID50168028
FDA SRS C460ZSU1OW
IBM Patent System FC838072A22B37DB49D5C5F196401BA7
Nikkaji J709.721B
PubChem 73214
PubChem: Thomson Pharma 14756686
SureChEMBL SCHEMBL186562

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SIMWTRCFFSTNMG-AWEZNQCLSA-N spacer
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